[gmx-users] Pure repulsive LJ potential for OPLSAA

Lei xiaoainisa at gmail.com
Wed Aug 30 02:49:05 CEST 2017

Hi, gmx users,
I am wondering how can I set up a pure repulsive or attractive LJ potential
in the OPLSAA force field. Since you need to set up the sigma and epsilon
instead of C6 or C12, the pure repulsive requires sigma to be infinity and
epsilon need to be 0. Is there a way to achieve pure repulsive LJ potential?

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